SCHEMBL6132759

SCHEMBL6132759

COC1(c2ccc(Cl)cc2)CCN(c2ccc(Br)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
FPR2 P25090 1/20 0.40
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
ADRB1 P08588 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6132388 0.86 MAPT (0.43) DRD2DRD4DRD3HTR3EHTR3B
SCHEMBL6132525 0.84 ADRB1 (0.61) DRD2DRD4DRD3HTR3EHTR3B
Hydrochloric Acid SCHEMBL6132311 0.83 ADRB1 (0.59) DRD2DRD4DRD3HTR3EHTR3B
SCHEMBL6132931 0.80 MAPT (0.49) ADRB1MEN1KMT2ALMNASMN1; SMN2
Hydrochloric Acid SCHEMBL6132929 0.79 ENPP2 (0.50) DRD2SIGMAR1MEN1KMT2ALMNA
SCHEMBL29638934 0.77 OPRM1 (0.47) DRD2DRD4DRD3SIGMAR1LMNA
SCHEMBL12665882 0.77 OPRM1 (0.44) DRD2DRD4DRD3OPRM1OPRD1
SCHEMBL3576114 0.76 OPRM1 (0.40) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL28819411 0.76 DRD2 (0.46) DRD2DRD4DRD3SMN1; SMN2OPRM1
SCHEMBL6133136 0.76 ALDH1A1 (0.52) DRD2MEN1KMT2ALMNASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884868-B1 Cyclic hexapeptides having antibiotic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-26 US disclosed
EP-1173472-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-23 EP disclosed
WO-2000064927-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 WO disclosed